| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2010 | 10 | Yes |
Popular Name: 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-5-methyl-, (2S,3S,4S,5R)- (9CI) 3,4-Pyrrolidinediol, 2-(hydroxym…
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CAS Number: 330594-46-2
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.65 | -6.86 | -32.69 | 5 | 4 | 1 | 77 | 148.182 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.65 | -8.09 | -6.38 | 4 | 4 | 0 | 73 | 147.174 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO-3-E | Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 490 | 0.88 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO_BOVIN | Q2KIM0 | Alpha-L-fucosidase 1, Bovin | 1000 | 0.84 | Binding ≤ 1μM |
| FUCO_BOVIN | Q2KIM0 | Alpha-L-fucosidase 1, Bovin | 1000 | 0.84 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.